1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine

C15H19ClFN5O — CID 144663317

IUPAC1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine
SMILESFc1ccc(-n2cc(NCCCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C15H19ClFN5O/c16-13-10-12(2-3-14(13)17)22-11-15(19-20-22)18-4-1-5-21-6-8-23-9-7-21/h2-3,10-11,18H,1,4-9H2
InChIKeyAORLZJRNHMRAQA-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.19
Rot. Bonds6

About 1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine

1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine (PubChem CID 144663317) has the molecular formula C15H19ClFN5O and a molecular weight of 339.80 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine
PubChem CID144663317
Molecular FormulaC15H19ClFN5O
Molecular Weight339.80 g/mol
Exact Mass339.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine
SMILESFc1ccc(-n2cc(NCCCN3CCOCC3)nn2)cc1Cl
InChIInChI=1S/C15H19ClFN5O/c16-13-10-12(2-3-14(13)17)22-11-15(19-20-22)18-4-1-5-21-6-8-23-9-7-21/h2-3,10-11,18H,1,4-9H2
InChIKeyAORLZJRNHMRAQA-UHFFFAOYSA-N
XLogP2.19
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-pyrazol-3-amine
CID 24743568
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76073628
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683680
1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-1,2,3-triazol-4-amine
CID 76683773
1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76683785
1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76683982
1-(3-fluorophenyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]triazol-4-amine
CID 76684092
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684104
1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684214
1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684294
1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684296
1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-N-propyl-1H-1,2,3-triazol-4-amine
CID 76684475

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine (CID 144663317) is 1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine is Fc1ccc(-n2cc(NCCCN3CCOCC3)nn2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine?
The InChIKey is AORLZJRNHMRAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN5O/c16-13-10-12(2-3-14(13)17)22-11-15(19-20-22)18-4-1-5-21-6-8-23-9-7-21/h2-3,10-11,18H,1,4-9H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine?
1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine has a molecular weight of 339.80 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine is sourced from PubChem (CID 144663317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).